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Drug Design

Papers

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Showing 401–425 of 440 papers

TitleStatusHype
Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface PredictionCode0
Roughness of molecular property landscapes and its impact on modellabilityCode0
BoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule GenerationCode0
Fréchet ChemNet Distance: A metric for generative models for molecules in drug discoveryCode0
Assay2Mol: large language model-based drug design using BioAssay contextCode0
Learning MDL logic programs from noisy dataCode0
Equivalent Distance Geometry Error for Molecular Conformation ComparisonCode0
Learning big logical rules by joining small rulesCode0
CrossBind: Collaborative Cross-Modal Identification of Protein Nucleic-Acid-Binding ResiduesCode0
EquiBoost: An Equivariant Boosting Approach to Molecular Conformation GenerationCode0
Large Language Models for Controllable Multi-property Multi-objective Molecule OptimizationCode0
Critical review of conformational B-cell epitope prediction methodsCode0
Predicting solvation free energies with an implicit solvent machine learning potentialCode0
Insights into performance evaluation of com-pound-protein interaction prediction methodsCode0
ClaPIM: Scalable Sequence CLAssification using Processing-In-MemoryCode0
Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMsCode0
CASTER: Predicting Drug Interactions with Chemical Substructure RepresentationCode0
DrugGen enhances drug discovery with large language models and reinforcement learningCode0
Sever: A Robust Meta-Algorithm for Stochastic OptimizationCode0
Image-Conditioned Graph Generation for Road Network ExtractionCode0
Guided Multi-objective Generative AI to Enhance Structure-based Drug DesignCode0
GGL-PPI: Geometric Graph Learning to Predict Mutation-Induced Binding Free Energy ChangesCode0
Protein-Ligand Scoring with Convolutional Neural NetworksCode0
An Equivariant Generative Framework for Molecular Graph-Structure Co-DesignCode0
An Efficient MCMC Approach to Energy Function Optimization in Protein Structure PredictionCode0
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